O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine

C14H20ClNO — CID 117387845

IUPACO-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-14-10-11(8-9-17-16)6-7-13(14)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2
InChIKeyYHWGTOXVOIKAFO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.82
Rot. Bonds4

About O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine

O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine (PubChem CID 117387845) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
PubChem CID117387845
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameO-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-14-10-11(8-9-17-16)6-7-13(14)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2
InChIKeyYHWGTOXVOIKAFO-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
CID 105497358
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
CID 117354257
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117324460
[3-acetyloxy-2-(3-chloro-4-cyclohexylphenyl)propyl] acetate
CID 70611262
O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117482086
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
CID 18962081
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
CID 23127930

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine (CID 117387845) is O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine is NOCCc1ccc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine?
The InChIKey is YHWGTOXVOIKAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-14-10-11(8-9-17-16)6-7-13(14)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2.
What are the key properties of O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine has a molecular weight of 253.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117387845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).